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10019-60-0,MFCD08703770
Catalog No.:AA00014B
10019-60-0 | Benzoic acid, 2-(β-D-glucopyranosyloxy)-, methyl ester
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00014B
Chemical Name:
Benzoic acid, 2-(β-D-glucopyranosyloxy)-, methyl ester
CAS Number:
10019-60-0
Molecular Formula:
C14H18O8
Molecular Weight:
314.2879
MDL Number:
MFCD08703770
IUPAC Name:
methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
InChI:
InChI=1S/C14H18O8/c1-20-13(19)7-4-2-3-5-8(7)21-14-12(18)11(17)10(16)9(6-15)22-14/h2-5,9-12,14-18H,6H2,1H3/t9-,10-,11+,12-,14-/m1/s1
InChI Key:
ONKIQNFPVXNOBV-YGEZULPYSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccccc2C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Computed Properties
 
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
314.1g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
314.29g/mol
Monoisotopic Mass:
314.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  

Synonyms
 
10019-60-0 
2-Methoxycarbonylphenyl b-D-glucopyranoside 
2-(Methoxycarbonyl)phenyl beta-D-glucopyranoside 
W-200618 
Benzoic acid, 2-(beta-D-glucopyranosyloxy)-, methyl ester 
methyl 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate 
ONKIQNFPVXNOBV-YGEZULPYSA-N 
CID7573798 
(2'-METHOXYCARBONYL) PHENYL-BETA-D-GLUCOPYRANOSIDE 
2-Methoxycarbonylphenyl beta-D-glucopyranoside 
ZINC05234420 
AC1OPT9C 
CTK8F4388 
DTXSID70428813 
ZINC5234420 
methylsalicylate-2-O-beta-D-glucoside 
methylsalicylate O-beta-D-glucopyranoside 
Literature

Title: Non-smoky glycosyltransferase1 prevents the release of smoky aroma from tomato fruit.

Journal: The Plant cell 20130801

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